PCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.43Å | Aromatic |
| CD1 | HD11 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.42Å | Aromatic |
| CE1 | HE11 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.43Å | Aromatic |
| CD2 | HD21 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.41Å | Aromatic |
| CE2 | HE21 | sing | 1.08Å | 1.10Å | |
| CZ | OH | sing | 1.36Å | 1.37Å | |
| OH | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | HB1 | 120.4° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CG | CD1 | 120.5° | 120.0° |
| CB | CG | CD2 | 121.0° | 120.0° |
| HB1 | CB | HB2 | 108.3° | 109.5° |
| HB1 | CB | HB3 | 108.3° | 109.4° |
| HB2 | CB | HB3 | 101.7° | 109.4° |
| CD1 | CG | CD2 | 118.5° | 120.0° |
| CG | CD1 | CE1 | 121.2° | 120.1° |
| CG | CD1 | HD11 | 118.7° | 119.9° |
| CG | CD2 | CE2 | 121.0° | 120.1° |
| CG | CD2 | HD21 | 119.1° | 119.9° |
| CE1 | CD1 | HD11 | 120.1° | 120.0° |
| CD1 | CE1 | CZ | 119.5° | 120.0° |
| CD1 | CE1 | HE11 | 120.7° | 120.0° |
| CZ | CE1 | HE11 | 119.8° | 120.0° |
| CE1 | CZ | CE2 | 120.2° | 119.8° |
| CE1 | CZ | OH | 119.5° | 120.1° |
| CE2 | CD2 | HD21 | 119.9° | 120.0° |
| CD2 | CE2 | CZ | 119.6° | 120.0° |
| CD2 | CE2 | HE21 | 121.0° | 120.0° |
| CZ | CE2 | HE21 | 119.4° | 120.0° |
| CE2 | CZ | OH | 120.2° | 120.1° |
| CZ | OH | HO1 | 119.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | HB1 | HB2 | 125.2° | 120.1° |
| CG | CB | HB1 | HB3 | 125.3° | 120.0° |
| CG | CB | HB2 | HB3 | 113.9° | 120.1° |
| CB | CG | CD1 | CD2 | 177.0° | 179.7° |
| CB | CG | CD1 | CE1 | 176.8° | 180.0° |
| CB | CG | CD1 | HD11 | 3.2° | 0.1° |
| CB | CG | CD2 | CE2 | 176.5° | 179.8° |
| CB | CG | CD2 | HD21 | 3.5° | 0.2° |
| HB1 | CB | HB2 | HB3 | 114.0° | 119.9° |
| HB1 | CB | CG | CD1 | 180.0° | 30.0° |
| HB1 | CB | CG | CD2 | 3.0° | 149.7° |
| HB2 | CB | CG | CD1 | 54.8° | 90.1° |
| HB2 | CB | CG | CD2 | 122.2° | 90.2° |
| HB3 | CB | CG | CD1 | 54.8° | 149.9° |
| HB3 | CB | CG | CD2 | 128.3° | 29.8° |
| CG | CD1 | CE1 | HD11 | 180.0° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.1° |
| CG | CD1 | CE1 | HE11 | 179.8° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.5° |
| CD1 | CG | CD2 | HD21 | 179.5° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | CD1 | HD11 | 179.8° | 179.9° |
| CG | CD2 | CE2 | HD21 | 180.0° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.8° | 0.5° |
| CG | CD2 | CE2 | HE21 | 179.2° | 179.8° |
| CD1 | CE1 | CZ | HE11 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.5° | 0.1° |
| CD1 | CE1 | CZ | OH | 176.6° | 180.0° |
| HD11 | CD1 | CE1 | CZ | 179.8° | 179.9° |
| HD11 | CD1 | CE1 | HE11 | 0.2° | 0.1° |
| CE1 | CZ | CE2 | CD2 | 0.8° | 0.2° |
| CE1 | CZ | CE2 | OH | 177.1° | 180.0° |
| CE1 | CZ | CE2 | HE21 | 179.2° | 180.0° |
| CE1 | CZ | OH | HO1 | 180.0° | 90.0° |
| HE11 | CE1 | CZ | CE2 | 179.5° | 179.9° |
| HE11 | CE1 | CZ | OH | 3.4° | 0.0° |
| CD2 | CE2 | CZ | HE21 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | OH | 176.3° | 179.8° |
| HD21 | CD2 | CE2 | CZ | 179.2° | 179.9° |
| HD21 | CD2 | CE2 | HE21 | 0.8° | 0.2° |
| CE2 | CZ | OH | HO1 | 2.9° | 90.0° |
| HE21 | CE2 | CZ | OH | 3.7° | 0.0° |
